Geometry & MOs

Info

ID:

442250

PubChem CID:

135250811

Reduced:

N4C19H20 (3)

Stoich.:

A4B19C20 (3)

Weight, g/mol:

603.270636

ΔHf, kcal/mol:

233.53

Dipole, Da:

5.23

IP(EA), eV:

 -8.78(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[4,6-bis[6-(5,5-dimethyl-4H-1,3-oxazol-2-yl)pyridin-2-yl]-1,3,5-triazin-2-yl]pyridin-2-yl]-5,5-dimethyl-4H-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(C(N(C(=N1)C2=CC=CC=C2)C3=NC=C(C=C3)C4=NC(=NC(=N4)C5=CN=C(C=C5)N6C(=NC(C6(C)C)(C)C)C7=CC=CC=C7)C8=CN=C(C=C8)N9C(=NC(C9(C)C)(C)C)C1=CC=CC=C1)(C)C)C

DOS

IR

Vibrations